(1s 2 2s 2 2p 4 ) 1 S Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.134871 | 1.45527801 |
| 2 | 3p | 5.553019 | -.55866759 |
| 3 | 4p | 6.950447 | .08442234 |
| 4 | 5p | 3.922760 | .05286115 |
| 5 | 5p | 25.512696 | -.00028832 |
| 6 | 3p | 13.897916 | -.00388615 |
| 7 | 4p | 3.422382 | -.01639685 |
| ORB.ENERGY,a.u. | -4.701300 | ||
| NORM | 1.000000 | < R > | .609663 | < R2 > | .461722 | < 1/R > | 2.137311 | < 1/R**2 > | 6.397941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.789801 | .35234910 |
| 2 | 2s | 4.619924 | -.90653898 |
| 3 | 3s | 4.008400 | -.24026266 |
| 4 | 4s | 7.036975 | .01633322 |
| 5 | 3s | 11.943272 | .02045945 |
| 6 | 5s | 25.835959 | .00057505 |
| 7 | 2s | 57.273815 | .00001164 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .647781 | < R2 > | .497039 | < 1/R > | 2.242634 | < 1/R**2 > | 20.626974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.158845 | .91105610 |
| 2 | 1s | 17.021239 | .08859970 |
| 3 | 2s | 9.139915 | .01814820 |
| 4 | 3s | 13.686022 | -.01517736 |
| 5 | 4s | 21.339147 | .00357465 |
| 6 | 5s | 39.579755 | .00018116 |
| 7 | 5s | 7.203775 | .00065147 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130336 | < R2 > | .022841 | < 1/R > | 11.611783 | < 1/R**2 > | 272.339870 |
Total Energy= -191.98024296 a.u.
Kinetic Energy= 191.56201530 a.u.
Potential Energy= -383.54225827 a.u.
Virial Ratio = -2.00218325